AENET-LAMMPS and AENET-TINKER: interfaces for accurate and efficient molecula...

This data set contains atomic structures of liquid water and amorphous Li(x)Si in the XCrySDen structure format (XSF) [1]. Total energies are included as additional meta...

本数据集收录了采用XCrySDen结构格式（XCrySDen Structure Format，XSF）[1] 存储的液态水与无定形Li(x)Si的原子结构，总能量以附加元数据的形式被纳入其中，原文后续内容存在省略。